SpectraBase Spectrum ID |
JubVcRClnWN |
Name |
Benperidol MS2 |
CAS Registry Number |
2062-84-2 |
Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [95.00-395.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C22H24FN3O2 |
InChI |
InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28) |
InChIKey |
FEBOTPHFXYHVPL-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
N1C=2C(N(C1=O)C1CCN(CC1)CCCC(C=1C=CC(=CC1)F)=O)=CC=CC2 |
Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
Sample Description |
Analyte Type: Parent |
Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
Spectrum Type |
ms2 |
Technique |
ITMS |